[4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine

C26H47N — CID 89408032

IUPAC[4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine
SMILES[H]/N=C/C1CCC(CCCCC2CCC(/C(=C/CC(C)CC)CC)CC2)CC1
InChIInChI=1S/C26H47N/c1-4-21(3)10-17-25(5-2)26-18-15-23(16-19-26)9-7-6-8-22-11-13-24(20-27)14-12-22/h17,20-24,26-27H,4-16,18-19H2,1-3H3/b25-17+,27-20+
InChIKeyLGKCFIGOUQZHRG-FXJWOPIOSA-N
MW373.67 g/mol
LogP8.58
Rot. Bonds11

About [4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine

[4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine (PubChem CID 89408032) has the molecular formula C26H47N and a molecular weight of 373.67 g/mol. Its IUPAC name is [4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine.

Molecular Properties

Compound Name[4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine
PubChem CID89408032
Molecular FormulaC26H47N
Molecular Weight373.67 g/mol
Exact Mass373.37
IUPAC Name[4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine
SMILES[H]/N=C/C1CCC(CCCCC2CCC(/C(=C/CC(C)CC)CC)CC2)CC1
InChIInChI=1S/C26H47N/c1-4-21(3)10-17-25(5-2)26-18-15-23(16-19-26)9-7-6-8-22-11-13-24(20-27)14-12-22/h17,20-24,26-27H,4-16,18-19H2,1-3H3/b25-17+,27-20+
InChIKeyLGKCFIGOUQZHRG-FXJWOPIOSA-N
XLogP8.58
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.67
LogP ≤ 58.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine?
The IUPAC name of [4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine (CID 89408032) is [4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine.
What is the SMILES notation for [4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine?
The canonical SMILES for [4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine is [H]/N=C/C1CCC(CCCCC2CCC(/C(=C/CC(C)CC)CC)CC2)CC1.
What is the InChIKey of [4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine?
The InChIKey is LGKCFIGOUQZHRG-FXJWOPIOSA-N. The full InChI is InChI=1S/C26H47N/c1-4-21(3)10-17-25(5-2)26-18-15-23(16-19-26)9-7-6-8-22-11-13-24(20-27)14-12-22/h17,20-24,26-27H,4-16,18-19H2,1-3H3/b25-17+,27-20+.
What are the key properties of [4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine?
[4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine has a molecular weight of 373.67 g/mol, XLogP of 8.58, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-[4-[(E)-6-methyloct-3-en-3-yl]cyclohexyl]butyl]cyclohexyl]methanimine is sourced from PubChem (CID 89408032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).